Glycoside
GD073147
Name:
NoneFormula:
C17H23O7NSSmiles:
COc1cccc([C@@H]2CSCCN2C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1Aglycone:
COc1cccc(C2CSCCN2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 385.44 | Num_heavy_atoms: | 26 |
| TPSA: | 127.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD33970
Formula: C11H15ONS
Smiles:
COc1cccc(C2CSCCN2)c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 209.31 | Num_heavy_atoms: | 14 |
| TPSA: | 21.26 | NumAromaticRings: | 1 |
